[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone

C26H24F2N2O4S — CID 60581739

About [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone

[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone (PubChem CID 60581739) has the molecular formula C26H24F2N2O4S and a molecular weight of 498.55 g/mol. Its IUPAC name is [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone.

Molecular Properties

• Compound Name: [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
• PubChem CID: 60581739
• Molecular Formula: C26H24F2N2O4S
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.14
• IUPAC Name: [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
• SMILES: CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCc3cccc(OC(F)F)c32)c1
• InChI: InChI=1S/C26H24F2N2O4S/c1-17-15-19-7-2-3-12-22(19)30(17)35(32,33)21-11-4-9-20(16-21)25(31)29-14-6-10-18-8-5-13-23(24(18)29)34-26(27)28/h2-5,7-9,11-13,16-17,26H,6,10,14-15H2,1H3
• InChIKey: KRTBLOUONHUUHA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 66.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

The IUPAC name of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone (CID 60581739) is [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone.

What is the SMILES notation for [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

The canonical SMILES for [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCc3cccc(OC(F)F)c32)c1.

What is the InChIKey of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

The InChIKey is KRTBLOUONHUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4S/c1-17-15-19-7-2-3-12-22(19)30(17)35(32,33)21-11-4-9-20(16-21)25(31)29-14-6-10-18-8-5-13-23(24(18)29)34-26(27)28/h2-5,7-9,11-13,16-17,26H,6,10,14-15H2,1H3.

What are the key properties of [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone has a molecular weight of 498.55 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone is sourced from PubChem (CID 60581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).